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[NO2-(15)-N]-5-NITRO-4-IMIDAZOLECARBOXYLIC-ACID
SpectraBase Compound ID 533W1TSwCe6
InChI InChI=1S/C4H3N3O4/c8-4(9)2-3(7(10)11)6-1-5-2/h1H,(H,5,6)(H,8,9)/i7+1
InChIKey IQADWEQLYZUURU-CDYZYAPPSA-N
Mol Weight 158.08 g/mol
Molecular Formula C4H3N215NO4
Exact Mass 158.00939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5dKaNC9oh6
Name [NO2-(15)-N]-5-NITRO-4-IMIDAZOLECARBOXYLIC-ACID
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H3N215NO4
InChI InChI=1S/C4H3N3O4/c8-4(9)2-3(7(10)11)6-1-5-2/h1H,(H,5,6)(H,8,9)/i7+1
InChIKey IQADWEQLYZUURU-CDYZYAPPSA-N
Literature Reference Author M.L.JAIN,Y.P.TSAO,N.L.HO,J.W.CHENG
Literature Reference Citation J.ORG.CHEM.,66,6472(2001)
Literature Reference DOI 10.1021/jo010253q
Molecular Weight 158.079 g/mol
Solvent DMSO-D6
Source File Reference UWVN24778